The vibrational dynamics of 3D HOCl above dissociation

Journal Article · Sat Mar 28 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4915142· OSTI ID:22415561

Lin, Yi-Der; Reichl, L. E. ^[1]; Jung, Christof ^[2]

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1. Center for Complex Quantum Systems and Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States)
2. Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Av. Universidad 1001, 62251 Cuernavaca (Mexico)

We explore the classical vibrational dynamics of the HOCl molecule for energies above the dissociation energy of the molecule. Above dissociation, we find that the classical dynamics is dominated by an invariant manifold which appears to stabilize two periodic orbits at energies significantly above the dissociation energy. These stable periodic orbits can hold a large number of quantum states and likely can support a significant quasibound state of the molecule, well above the dissociation energy. The classical dynamics and the lifetime of quantum states on the invariant manifold are determined.

• OSTI ID: 22415561
• Journal Information: Journal of Chemical Physics, Vol. 142, Issue 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
DISSOCIATION
DISSOCIATION ENERGY
HYPOCHLOROUS ACID
LIFETIME
MOLECULES
ORBITS
PERIODICITY
QUANTUM STATES
QUASIBOUND STATE